SCHEMBL4052076

SCHEMBL4052076

CCCCCOc1cccc(COc2ccc(C=O)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.54
MAOB P27338 5/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
HPGD P15428 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
RAB9A P51151 2/20 0.53
PLA2G4B P0C869 3/20 0.52
NPC1 O15118 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
GGPS1 O95749 2/20 0.49
CYP2D6 P10635 2/20 0.48
LCK P06239 1/20 0.47
TSHR P16473 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15012374 0.87 MAOB (0.54) MAOAMAOBALDH1A1LMNAMAPT
SCHEMBL4049966 0.86 SMN1; SMN2 (0.67) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL1164139 0.83 MAOB (0.74) MAOAMAOBALDH1A1RAB9ANPC1
SCHEMBL1443663 0.83 ALDH1A1 (0.69) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL6687219 0.82 MAOB (0.66) MAOAMAOBSMN1; SMN2RAB9ANPC1
SCHEMBL1164373 0.81 ALDH1A1 (0.67) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL1864244 0.81 ALDH1A1 (0.67) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL1239921 0.81 ALDH1A1 (0.67) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL10497693 0.81 ALDH1A1 (0.67) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL1164661 0.81 ALDH1A1 (0.67) ALDH1A1LMNAMAPTHPGDSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009109999-A1 NOVEL PROTEIN TYROSINE PHOSPHATASE - IB INHIBITORS LUPIN LIMITED (IN) 2009-09-11 WO disclosed